4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

C14H14N2OS2 — CID 24505587

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(NCc3ccco3)n2)c(C)s1
InChIInChI=1S/C14H14N2OS2/c1-9-6-12(10(2)19-9)13-8-18-14(16-13)15-7-11-4-3-5-17-11/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyRNGPOAYKZQJRFM-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.69
Rot. Bonds4

About 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 24505587) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID24505587
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(NCc3ccco3)n2)c(C)s1
InChIInChI=1S/C14H14N2OS2/c1-9-6-12(10(2)19-9)13-8-18-14(16-13)15-7-11-4-3-5-17-11/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyRNGPOAYKZQJRFM-UHFFFAOYSA-N
XLogP4.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_C(3)', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17473672
4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 30330546
4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 47302221
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17452911
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682109
N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714289
N-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 32951440
1-[(4-fluorophenyl)methyl]-5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 134082251
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 45496421

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (CID 24505587) is 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(NCc3ccco3)n2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is RNGPOAYKZQJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-9-6-12(10(2)19-9)13-8-18-14(16-13)15-7-11-4-3-5-17-11/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 290.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24505587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).